SCHEMBL5748661

SCHEMBL5748661

COC(=O)CCc1cccc(S)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.51
▸ PTPN1 P18031 2/20 0.44
▸ CYP4F2 P78329 3/20 0.44
▸ CYP4A11 Q02928 3/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ BRD4 O60885 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ CYP11B1 P15538 1/20 0.42
▸ CYP11B2 P19099 1/20 0.42
▸ CNR2 P34972 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2767776 0.83 SLC7A5 (0.55) CYP4F2CYP4A11ALDH1A1LMNAKDM4E
SCHEMBL12255149 0.81 SIRT2 (0.52) SIRT2PTPN1CYP4F2CYP4A11TDP1
SCHEMBL30655576 0.81 SPR (0.57) SIRT2CYP4F2CYP4A11ALDH1A1LMNA
SCHEMBL1124591 0.81 SPR (0.57) SIRT2CYP4F2CYP4A11ALDH1A1LMNA
SCHEMBL1410879 0.81 SIRT2 (0.52) SIRT2PTPN1CYP4F2CYP4A11TDP1
SCHEMBL19540906 0.81 SIRT2 (0.52) SIRT2PTPN1CYP4F2CYP4A11TDP1
SCHEMBL1107166 0.81 SIRT2 (0.52) SIRT2CYP4F2CYP4A11TDP1ALDH1A1
SCHEMBL28655132 0.81 SLC7A5 (0.57) SIRT2PTPN1CYP4F2CYP4A11TDP1
SCHEMBL972580 0.80 SIRT2 (0.51) SIRT2PTPN1CYP4F2CYP4A11TDP1
SCHEMBL7716761 0.80 SIRT2 (0.51) SIRT2PTPN1CYP4F2CYP4A11TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7329668-B2 Pyrazolopurine-based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-12 — — US disclosed
EP-1735280-A1 ARYL SULFONAMIDE AND SULFONYL COMPOUNDS AS MODULATORS OF PPAR AND METHODS OF TREATING METABOLIC DISORDERS Kalypsys, Inc. (US) 2006-12-27 — — EP disclosed
WO-2005115983-A1 ARYL SULFONAMIDE AND SULFONYL COMPOUNDS AS MODULATORS OF PPAR AND METHODS OF TREATING METABOLIC DISORDERS KALYPSYS, INC. (US) 2005-12-08 — — WO disclosed
US-20050234046-A1 Aryl sulfonamide and sulfonyl compounds as modulators of PPAR and methods of treating metabolic disorders KALYPSYS, INC. (US) 2005-10-20 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050234046-A1 Aryl sulfonamide and sulfonyl compounds as modulators of PPAR and methods of treating metabolic disorders PPARA, PPARG, PPARD SIRT2 308/4885PTPN1 376/4885CYP4F2 974/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback